PuGeN
Alexandria ALEXAlex-ID: agm005628512 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_30_spg11
Ge PuN
2023-06-19 12:02:42.125249
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005628512).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005628512
data_agm005628512
_cell_length_a 3.86362
_cell_length_b 3.94167
_cell_length_c 7.06409
_cell_angle_alpha 90.00244
_cell_angle_beta 75.69790
_cell_angle_gamma 90.00031
_cell_volume 104.24577
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pu1 Pu 0.88705 0.13353 0.91973 1.00000
Pu2 Pu 0.24007 0.63354 0.24104 1.00000
Ge1 Ge 0.65368 0.13349 0.47397 1.00000
Ge2 Ge 0.47358 0.63352 0.68686 1.00000
N1 N 0.81291 0.63354 0.07846 1.00000
N2 N 0.31422 0.13354 0.08232 1.00000
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